CID 135481175

Chembl369303

Structural Information

Molecular Formula
C16H10N4O4
SMILES
C1=CC=C2C(=C1)C(=C(N2)C3=C(NC4=C3C=C(C=C4)[N+](=O)[O-])O)N=O
InChI
InChI=1S/C16H10N4O4/c21-16-13(10-7-8(20(23)24)5-6-12(10)18-16)15-14(19-22)9-3-1-2-4-11(9)17-15/h1-7,17-18,21H
InChIKey
GIMRHZPQMMMJKH-UHFFFAOYSA-N
Compound name
5-nitro-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

19
Patents

322.0702 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.07748 165.8
[M+Na]+ 345.05942 175.6
[M-H]- 321.06292 171.8
[M+NH4]+ 340.10402 180.4
[M+K]+ 361.03336 165.7
[M+H-H2O]+ 305.06746 162.6
[M+HCOO]- 367.06840 190.0
[M+CH3COO]- 381.08405 199.1
[M+Na-2H]- 343.04487 174.3
[M]+ 322.06965 166.9
[M]- 322.07075 166.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe